C176-0353 Screening compound: 2-{[4-(benzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

C176-0353 Screening compound: 2-{[4-(benzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
C176-0353 Screening compound: 2-{[4-(benzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0353
2-{[4-(benzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C176-0353

Molecular Formula

C20H20N2O6S2 (C20 H20 N2 O6 S2)

Compound Name

2-{[4-(benzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-{[4-(benzenesulfonyl)-2-(furan-2-yl)-13-oxazol-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

SMILES

O=C(CSc(oc(-c1ccco1)n1)c1S(c1ccccc1)(=O)=O)NCC1OCCC1

InChI

InChI=1S/C20H20N2O6S2/c23-17(21-12-14-6-4-10-26-14)13-29-20-19(22-18(28-20)16-9-5-11-27-16)30(24,25)15-7-2-1-3-8-15/h1-3,5,7-9,11,14H,4,6,10,12-13H2,(H,21,23)/t14-/m1/s1

InChI Key

ZXOCZDUPKFCCOV-CQSZACIVSA-N

MDL Number (MFCD)

MFCD04459715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.222

Distribution Coefficient, logD

2.222

Water Solubility, LogSw

-2.55

Polar Surface Area

89.372

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C176-0353 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C176-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0353?
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What is the minimum amount of C176-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0353
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C176-0353 available by request